methyl (2Z)-3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
TL;DR: methyl (2Z)-3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate (CAS 1164470-54-5) is a chemical compound with molecular formula C12H14N2O3S and molecular weight 266.0725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-oxo-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazine-6-carboxylate
Also Known As: methyl (2Z)-3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate, methyl 4-oxo-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazine-6-carboxylate, methyl 3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate, Methyl (2Z)-3,4-dihydro-4-oxo-3-(2-propen-1-yl)-2-(2-propen-1-ylimino)-2H-1,3-thiazine-6-carboxylate, Methyl (2Z)-4-oxo-3-(prop-2-en-1-yl)-2-[(prop-2-en-1-yl)imino]-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
Technical Specifications
| Molecular Formula | C12H14N2O3S |
| Molecular Weight | 266.0725 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 84.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.0725 Da |
| Heavy Atoms | 18 |
| Complexity | 441.0 |
| SMILES | COC(=O)C1=CC(=O)N(C(=NCC=C)S1)CC=C |
| InChIKey | SNWXGICCMKFEGH-UHFFFAOYSA-N |
Chemical Property Profile of methyl (2Z)-3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
Property Insights of methyl (2Z)-3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2Z)-3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2Z)-3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate. Following Lipinski's Rule of Five, methyl (2Z)-3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl (2Z)-3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate?
The CAS number of methyl (2Z)-3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate is 1164470-54-5.
What is the molecular formula of methyl (2Z)-3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate?
The molecular formula of methyl (2Z)-3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate is C12H14N2O3S.
What is the molecular weight of methyl (2Z)-3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate?
The molecular weight of methyl (2Z)-3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate is 266.0725 g/mol.
Where can I buy methyl (2Z)-3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate?
You can request a quote for methyl (2Z)-3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl (2Z)-3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl (2Z)-3-allyl-2-(allylimino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.